SCHEMBL23782853

SCHEMBL23782853

Cc1nc2c(c(C)c1C#N)CCC2O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23783166 0.91 KDM4E (0.40) KDM4EALDH1A1PKMCYP11B1CYP11B2
SCHEMBL25168170 0.84 KDM4E (0.43) KDM4EALDH1A1PKMCYP11B1CYP11B2
SCHEMBL23783142 0.84 KDM4E (0.40) KDM4EALDH1A1PKMCYP11B1CYP11B2
SCHEMBL10286311 0.78 KDM4E (0.40) KDM4EALDH1A1PKMCYP11B1CYP11B2
SCHEMBL23782835 0.76 KDM4E (0.48) KDM4EALDH1A1CYP11B1CYP11B2POLB
SCHEMBL23782977 0.74 RECQL (0.39) KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL10286279 0.73 KDM4E (0.44) KDM4EALDH1A1CYP11B1CYP11B2POLB
SCHEMBL18629818 0.71 CYP11B1 (0.37) KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL22889706 0.71 CYP11B1 (0.37) KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL10286167 0.69 ACHE (0.42)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 KDM4E 1401/4885ALDH1A1 1904/4885PKM 3112/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.